REMARK  Name = BDB007612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.209   1.358  -0.622  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.447   0.758  -1.839  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.010  -0.119  -2.057  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.945   2.214  -0.142  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.188  -0.130   0.245  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1        2.086   0.304  -0.499  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        0.979   0.880   0.137  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        0.989   1.038   1.526  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.082   0.599   2.272  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        3.178   0.011   1.633  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1        4.194  -0.671  -0.506  0.00  0.00    -0.487 OA
BRANCH  11  16
ATOM     12  C   LIG    1        8.649   1.856   1.095  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        8.821   0.459   0.558  0.00  0.00    +0.213 C 
ATOM     14  N   LIG    1        7.669  -0.214   0.228  0.00  0.00    -0.298 N 
ATOM     15  C   LIG    1        6.301   0.256   0.388  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        5.427  -0.979   0.134  0.00  0.00    +0.192 C 
ATOM     17  C   LIG    1        6.296  -1.784  -0.839  0.00  0.00    +0.065 C 
ATOM     18  C   LIG    1        7.703  -1.558  -0.316  0.00  0.00    +0.111 C 
ATOM     19  O   LIG    1        9.937  -0.043   0.437  0.00  0.00    -0.276 OA
ENDBRANCH  11  16
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -1.641   1.045  -2.617  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.767   0.027  -2.384  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.270  -1.298  -2.642  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -2.898  -1.886  -2.172  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.361   0.078  -0.958  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.383  -0.982  -0.751  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.715  -1.112   0.685  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.964  -0.385   1.124  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.096  -0.468   0.296  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.306   0.101   0.696  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.383   0.770   1.917  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.258   0.863   2.739  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.922  -1.189  -1.013  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.051   0.281   2.349  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.570  -0.773  -1.617  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8